1-Benzyl-4-(chloromethyl)-1H-pyrazole hydrochloride

Base Information

• Chemical Name: 1-Benzyl-4-(chloromethyl)-1H-pyrazole hydrochloride
• CAS No.: 861135-54-8
• Molecular Formula: C11H11 Cl N2 . Cl H
• Molecular Weight: 243.136
• Hs Code.: 2933199090
• DSSTox Substance ID: DTXSID20698069
• Mol file: 861135-54-8.mol

Synonyms:861135-54-8;1-BENZYL-4-(CHLOROMETHYL)-1H-PYRAZOLE HYDROCHLORIDE;1-Benzyl-4-(chloromethyl)pyrazole Hydrochloride;1-benzyl-4-(chloromethyl)pyrazole;hydrochloride;MFCD08234806;1-benzyl-4-(Chloromethyl)pyrazole HCl;SCHEMBL3763491;DTXSID20698069;LKFMOTBEHVZUHU-UHFFFAOYSA-N;AMY28823;AC1292;AKOS015998655;AC-22745;AS-68727;SY025690;1-benzyl-4-(chloromethyl)-1h-pyrazole HCl;CS-0456377;FT-0725596;A852315;1-BENZYL-4-(CHLOROMETHYL)-1H-PYRAZOLEHYDROCHLORIDE;1-Benzyl-4-(chloromethyl)-1H-pyrazole--hydrogen chloride (1/1);4-(Chloromethyl)-1-(phenylmethyl)-1H-pyrazole hydrochloride

Chemical Property of 1-Benzyl-4-(chloromethyl)-1H-pyrazole hydrochloride

Chemical Property:

• PSA: 17.82000
• LogP: 3.47220
• Storage Temp.: Sealed in dry,Room Temperature
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 242.0377538
• Heavy Atom Count: 15
• Complexity: 169

Purity/Quality:

99% ^*data from raw suppliers

1-benzyl-4-(chloromethyl)-1h-pyrazolehydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CN2C=C(C=N2)CCl.Cl

Technology Process of 1-Benzyl-4-(chloromethyl)-1H-pyrazole hydrochloride

There total 1 articles about 1-Benzyl-4-(chloromethyl)-1H-pyrazole hydrochloride which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

(1-benzyl-1H-pyrazol-4-yl)methanol (70817-17-3) → 1-benzyl-4-(chloromethyl)-1H-pyrazole hydrochloride (861135-54-8)

Guidance literature:

With thionyl chloride; In dichloromethane; at 20 ℃; for 5h;

Reference yield:

2-(3,3,3-trifluoropropyl)malononitrile (474889-56-0) + 1-benzyl-4-(chloromethyl)-1H-pyrazole hydrochloride (861135-54-8) → C17H15F3N4 (861134-85-2)

Guidance literature:

With potassium carbonate; In DMF (N,N-dimethyl-formamide); at 0 - 20 ℃;

upstream raw materials:

(1-benzyl-1H-pyrazol-4-yl)methanol

Downstream raw materials:

C₁₇H₁₅F₃N₄

Refernces